diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate

C21H18Cl2N2O4 — CID 23878770

IUPACdiethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
SMILESCCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cc(Cl)cc(Cl)c3)c2c1
InChIInChI=1S/C21H18Cl2N2O4/c1-3-28-20(26)12-5-6-18-16(7-12)19(17(11-24-18)21(27)29-4-2)25-15-9-13(22)8-14(23)10-15/h5-11H,3-4H2,1-2H3,(H,24,25)
InChIKeyMEETVHZPXFEVPS-UHFFFAOYSA-N
MW433.29 g/mol
LogP5.64
Rot. Bonds6

About diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate

diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate (PubChem CID 23878770) has the molecular formula C21H18Cl2N2O4 and a molecular weight of 433.29 g/mol. Its IUPAC name is diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
PubChem CID23878770
Molecular FormulaC21H18Cl2N2O4
Molecular Weight433.29 g/mol
Exact Mass432.06
IUPAC Namediethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
SMILESCCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cc(Cl)cc(Cl)c3)c2c1
InChIInChI=1S/C21H18Cl2N2O4/c1-3-28-20(26)12-5-6-18-16(7-12)19(17(11-24-18)21(27)29-4-2)25-15-9-13(22)8-14(23)10-15/h5-11H,3-4H2,1-2H3,(H,24,25)
InChIKeyMEETVHZPXFEVPS-UHFFFAOYSA-N
XLogP5.64
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.29
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
CID 23794912
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate
CID 23848765
diethyl 4-(4-morpholin-4-ylanilino)quinoline-3,6-dicarboxylate
CID 1190175
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
ethyl 4-(4-acetylanilino)-6-bromoquinoline-3-carboxylate
CID 1189464
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 1078338
3-O-ethyl 6-O-methyl 4-(2-ethylanilino)quinoline-3,6-dicarboxylate
CID 1187581

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate?
The IUPAC name of diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate (CID 23878770) is diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate.
What is the SMILES notation for diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate?
The canonical SMILES for diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate is CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cc(Cl)cc(Cl)c3)c2c1.
What is the InChIKey of diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate?
The InChIKey is MEETVHZPXFEVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4/c1-3-28-20(26)12-5-6-18-16(7-12)19(17(11-24-18)21(27)29-4-2)25-15-9-13(22)8-14(23)10-15/h5-11H,3-4H2,1-2H3,(H,24,25).
What are the key properties of diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate?
diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate has a molecular weight of 433.29 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate is sourced from PubChem (CID 23878770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).